4-chloranyl-2-[3,3,3-tris(fluoranyl)propylcarbamoyl]benzoic acid

Systemtic Name: 4-chloranyl-2-[3,3,3-tris(fluoranyl)propylcarbamoyl]benzoic acid Openeye Name: 4-chloro-2-(3,3,3-trifluoropropylcarbamoyl)benzoic acid CAS Name: 4-chloro-2-[oxo-(3,3,3-trifluoropropylamino)methyl]benzoic acid IUPAC Name: 4-chloro-2-(3,3,3-trifluoropropylcarbamoyl)benzoic acid Traditional Name: 4-chloro-2-(3,3,3-trifluoropropylcarbamoyl)benzoic acid Formula: C11H9ClF3NO3 MolecularWeight: 295.64227

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)NCCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)NCCC(F)(F)F)C(=O)O

InChI

InChI=1S/C11H9ClF3NO3/c12-6-1-2-7(10(18)19)8(5-6)9(17)16-4-3-11(13,14)15/h1-2,5H,3-4H2,(H,16,17)(H,18,19)